N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide

C19H16N4O2S2 — CID 67401518

IUPACN-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cc3c(NC(=O)c4cccs4)[nH]nc3s2)c1
InChIInChI=1S/C19H16N4O2S2/c1-11-4-2-5-12(8-11)10-20-17(24)15-9-13-16(22-23-19(13)27-15)21-18(25)14-6-3-7-26-14/h2-9H,10H2,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyQRMVKOTYLCMFRT-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.18
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide

N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67401518) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67401518
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC NameN-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cc3c(NC(=O)c4cccs4)[nH]nc3s2)c1
InChIInChI=1S/C19H16N4O2S2/c1-11-4-2-5-12(8-11)10-20-17(24)15-9-13-16(22-23-19(13)27-15)21-18(25)14-6-3-7-26-14/h2-9H,10H2,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyQRMVKOTYLCMFRT-UHFFFAOYSA-N
XLogP4.18
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67402095
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 38294108
3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67402006
N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66786142
3-[[2-(3-chlorophenyl)acetyl]amino]-N-[(4-chlorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400030
N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 11177292
N-[(4-chlorophenyl)methyl]-3-(1,3-thiazole-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398427
3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399013
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3144222
N-[3-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55817668
N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66786410

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67401518) is N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide is Cc1cccc(CNC(=O)c2cc3c(NC(=O)c4cccs4)[nH]nc3s2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is QRMVKOTYLCMFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-11-4-2-5-12(8-11)10-20-17(24)15-9-13-16(22-23-19(13)27-15)21-18(25)14-6-3-7-26-14/h2-9H,10H2,1H3,(H,20,24)(H2,21,22,23,25).
What are the key properties of N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67401518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).